SCHEMBL13005497

SCHEMBL13005497

CC(C)Cc1cccc(-c2cccc(C(=O)NC(CN(C)C)CC(C)(C)C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
HPGDS O60760 1/20 0.40
UTS2R Q9UKP6 10/20 0.40
MME P08473 1/20 0.40
MMEL1 Q495T6 1/20 0.40
HDAC4 P56524 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CTSB P07858 2/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PRKD1 Q15139 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13060860 0.89 BCL2 (0.42) HPGDSUTS2RMMEMMEL1
SCHEMBL13005436 0.88 HDAC4 (0.45) F2F10PRSS1HPGDSUTS2R
SCHEMBL13005434 0.88 HDAC4 (0.45) F2F10PRSS1HPGDSUTS2R
SCHEMBL13005665 0.87 MME (0.51) HPGDSUTS2RMMEMMEL1HDAC4
SCHEMBL13005455 0.84 HPGDS (0.45) F2F10PRSS1HPGDSUTS2R
SCHEMBL13005579 0.84 KMT2A (0.47) F2F10PRSS1HPGDSUTS2R
SCHEMBL13005424 0.82 HPGDS (0.43) F2F10PRSS1HPGDSUTS2R
SCHEMBL13005431 0.82 HPGDS (0.43) F2F10PRSS1HPGDSUTS2R
SCHEMBL13005671 0.81 F2 (0.45) F2F10PRSS1HPGDSUTS2R
SCHEMBL13005620 0.81 ROCK2 (0.38) UTS2RCTSLCTSSCTSKPRKD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed